(phenylmethyl) (NE)-N-[azanyl(phenylazanyl)methylidene]-N'-phenyl-carbamimidothioate

Systemtic Name: (phenylmethyl) (NE)-N-[azanyl(phenylazanyl)methylidene]-N'-phenyl-carbamimidothioate Openeye Name: (1E)-1-[amino(anilino)methylene]-2-benzyl-3-phenyl-isothiourea CAS Name: (NE)-N-[amino(anilino)methylidene]-N'-phenylcarbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl (NE)-N-[amino(anilino)methylidene]-N'-phenylcarbamimidothioate Traditional Name: (1E)-1-[amino(anilino)methylene]-2-benzyl-3-phenyl-isothiourea Formula: C21H20N4S MolecularWeight: 360.4753

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=NC2=CC=CC=C2)N=C(N)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC(=NC2=CC=CC=C2)/N=C(\N)/NC3=CC=CC=C3

InChI

InChI=1S/C21H20N4S/c22-20(23-18-12-6-2-7-13-18)25-21(24-19-14-8-3-9-15-19)26-16-17-10-4-1-5-11-17/h1-15H,16H2,(H3,22,23,24,25)